SCHEMBL3680445

SCHEMBL3680445

Cc1cc(CSC(=N)N)cc(CSC(=N)N)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.68
TAAR1 Q96RJ0 1/20 0.68
SLC11A2 P49281 2/20 0.62
NOS1 P29475 2/20 0.61
MAPT P10636 1/20 0.57
NOS3 P29474 1/20 0.55
NOS2 P35228 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL4006714 0.98 TAAR1 (0.66) IDO1TAAR1SLC11A2NOS1MAPT
SCHEMBL3762941 0.81 IDO1 (1.00) IDO1TAAR1SLC11A2NOS1NOS3
Hydrochloric Acid SCHEMBL8473757 0.80 TAAR1 (0.97) IDO1TAAR1SLC11A2NOS1NOS3
Bromide SCHEMBL5042180 0.79 IDO1 (0.96) IDO1TAAR1NOS1NOS3NOS2
SCHEMBL3690550 0.79 IDO1 (0.71) IDO1TAAR1SLC11A2NOS1MAPT
Bromide SCHEMBL4002281 0.77 IDO1 (0.69) IDO1TAAR1SLC11A2NOS1NOS3
SCHEMBL5450413 0.77 NOS1 (1.00) IDO1SLC11A2NOS1NOS3NOS2
SCHEMBL2813564 0.77 SLC11A2 (1.00) IDO1TAAR1SLC11A2NOS1NOS3
SCHEMBL3685660 0.76 MAPT (0.63) IDO1TAAR1SLC11A2NOS1MAPT
SCHEMBL13007598 0.75 IDO1 (0.68) IDO1SLC11A2NOS1NOS3NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO claimed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP claimed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO claimed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH IDO1 131/4885TAAR1 421/4885SLC11A2 175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.